Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate

HCID 2777802

Basic information

Standard SMILES
CCOC(=O)C(=O)C=CN(C)C
InChIKey
GTCBVGDJIQFBFF-UHFFFAOYSA-N
Molecular formula
C8H13NO3
Average molar mass
171.19 g/mol

Names & identifiers

Preferred name
Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate
IUPAC
ethyl 4-(dimethylamino)-2-oxobut-3-enoate

Names & synonyms

MFCD00219095ethyl 4-(dimethylamino)-2-oxo-but-3-enoate3-Butenoic acid, 4-(dimethylamino)-2-oxo-, ethyl esterEthyl 4-(Dimethylamino)-2-oxo-3-butenoateSCHEMBL1061842GTCBVGDJIQFBFF-UHFFFAOYSA-NKAC82443SB38266SY320276ethyl 4-dimethylamino-2-oxo-but-3-enoateethyl-4-dimethylamino-2-oxo-but-3-enoateDB-017572

Database identifiers

PubChem CID
2777802

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Related reactions

14 records

Compound notes

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